Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

This paper reports the results of a series of molecular dynamics calculations on a n-octane fluid at the normal density and several temperatures. The torsional interconversion between gauche and trans bonds has been investigated as a function of bond position and temperature. It is found that intermolecular interactions retard trans/gauche relaxation and appear to influence the trans/gauche ratio of the fluid.

Bibliography

Weber, T. A. (1979). Relaxation of a n-octane fluid. The Journal of Chemical Physics, 70(9), 4277–4284.

Authors 1
  1. Thomas A. Weber (first)
References 13 Referenced 74
  1. 10.1063/1.1674737 / J. Chem. Phys. (1971)
  2. 10.1063/1.436694 / J. Chem. Phys. (1978)
  3. 10.1103/PhysRevLett.41.313 / Phys. Rev. Lett. (1978)
  4. 10.1063/1.437628 / J. Chem. Phys. (1979)
  5. 10.1063/1.436863 / J. Chem. Phys. (1978)
  6. 10.1063/1.436284 / J. Chem. Phys. (1978)
  7. 10.1063/1.436285 / J. Chem. Phys. (1978)
  8. {'key': '2024020917592362600_r7', 'first-page': '404', 'volume': '23', 'year': '1978', 'journal-title': 'Bull. Am. Phys. Soc.'} / Bull. Am. Phys. Soc. (1978)
  9. 10.1038/270412a0 / Nature (London) (1977)
  10. 10.1063/1.436001 / J. Chem. Phys. (1978)
  11. {'key': '2024020917592362600_r10'}
  12. {'key': '2024020917592362600_r11'}
  13. 10.1021/j150567a020 / J. Phys. Chem. (1958)
Dates
Type When
Created 22 years, 5 months ago (Feb. 27, 2003, 5:52 p.m.)
Deposited 1 year, 6 months ago (Feb. 9, 2024, 2:59 p.m.)
Indexed 1 year, 5 months ago (March 15, 2024, 10:05 p.m.)
Issued 46 years, 3 months ago (May 1, 1979)
Published 46 years, 3 months ago (May 1, 1979)
Published Print 46 years, 3 months ago (May 1, 1979)
Funders 0

None

@article{Weber_1979, title={Relaxation of a n-octane fluid}, volume={70}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.438001}, DOI={10.1063/1.438001}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Weber, Thomas A.}, year={1979}, month=may, pages={4277–4284} }